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A THEORETICAL APPROACH TO SUBSTITUENT EFFECTS - INTERACTIONS BETWEEN DIRECTLY BONDED GROUPS IN THE NEUTRALS X-NH2,X-OH, AND X-F AND THE ANIONS X-NH- AND X-O-
被引:40
作者
:
HINDE, AL
论文数:
0
引用数:
0
h-index:
0
HINDE, AL
PROSS, A
论文数:
0
引用数:
0
h-index:
0
PROSS, A
RADOM, L
论文数:
0
引用数:
0
h-index:
0
RADOM, L
机构
:
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1980年
/ 1卷
/ 02期
关键词
:
D O I
:
10.1002/jcc.540010203
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:118 / 128
页数:11
相关论文
共 31 条
[1]
HARTREE-FOCK THEORY FOR NEGATIVE-IONS
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYS CHEM & ELEKTROCHEM,KARLSRUHE,FED REP GER
UNIV KARLSRUHE,INST PHYS CHEM & ELEKTROCHEM,KARLSRUHE,FED REP GER
AHLRICHS, R
[J].
CHEMICAL PHYSICS LETTERS,
1975,
34
(03)
: 570
-
574
[2]
BARTMESS JE, 1978, GAS PHASE ION CHEM
[3]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .19. SPLIT-VALENCE GAUSSIAN-TYPE BASIS SETS FOR BERYLLIUM
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(02)
: 879
-
880
[4]
MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF MOLECULES .29. INTERACTION OF H-2 WITH SIMPLE LEWIS-ACIDS
COLLINS, JB
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
COLLINS, JB
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
SCHLEYER, PV
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
POPLE, JA
RADOM, L
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
RADOM, L
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(12)
: 3436
-
3441
[5]
DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013
[6]
Dewar MJS, 1975, PMO THEORY ORGANIC C
[7]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .15. EXTENDED GAUSSIAN-TYPE BASIS SETS FOR LITHIUM, BERYLLIUM, AND BORON
DILL, JD
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV,DEPT CHEM,PRINCETON,NJ 08540
DILL, JD
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV,DEPT CHEM,PRINCETON,NJ 08540
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(07)
: 2921
-
2923
[8]
MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF MOLECULES .34. STRUCTURES AND ENERGIES OF SMALL COMPOUNDS CONTAINING LITHIUM OR BERYLLIUM - IONIC, MULTICENTER, AND COORDINATE BONDING
DILL, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST INORGAN CHEM, D-8520 ERLANGEN, FED REP GER
DILL, JD
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST INORGAN CHEM, D-8520 ERLANGEN, FED REP GER
SCHLEYER, PV
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST INORGAN CHEM, D-8520 ERLANGEN, FED REP GER
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST INORGAN CHEM, D-8520 ERLANGEN, FED REP GER
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(19)
: 6159
-
6173
[9]
MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .24. GEOMETRIES AND ENERGIES OF SMALL BORON-COMPOUNDS COMPARISONS WITH CARBOCATIONS
DILL, JD
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
DILL, JD
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
SCHLEYER, PV
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(12)
: 3402
-
3409
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
←
1
2
3
4
→
共 31 条
[1]
HARTREE-FOCK THEORY FOR NEGATIVE-IONS
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYS CHEM & ELEKTROCHEM,KARLSRUHE,FED REP GER
UNIV KARLSRUHE,INST PHYS CHEM & ELEKTROCHEM,KARLSRUHE,FED REP GER
AHLRICHS, R
[J].
CHEMICAL PHYSICS LETTERS,
1975,
34
(03)
: 570
-
574
[2]
BARTMESS JE, 1978, GAS PHASE ION CHEM
[3]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .19. SPLIT-VALENCE GAUSSIAN-TYPE BASIS SETS FOR BERYLLIUM
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(02)
: 879
-
880
[4]
MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF MOLECULES .29. INTERACTION OF H-2 WITH SIMPLE LEWIS-ACIDS
COLLINS, JB
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
COLLINS, JB
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
SCHLEYER, PV
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
POPLE, JA
RADOM, L
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
RADOM, L
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(12)
: 3436
-
3441
[5]
DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013
[6]
Dewar MJS, 1975, PMO THEORY ORGANIC C
[7]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .15. EXTENDED GAUSSIAN-TYPE BASIS SETS FOR LITHIUM, BERYLLIUM, AND BORON
DILL, JD
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV,DEPT CHEM,PRINCETON,NJ 08540
DILL, JD
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV,DEPT CHEM,PRINCETON,NJ 08540
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(07)
: 2921
-
2923
[8]
MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF MOLECULES .34. STRUCTURES AND ENERGIES OF SMALL COMPOUNDS CONTAINING LITHIUM OR BERYLLIUM - IONIC, MULTICENTER, AND COORDINATE BONDING
DILL, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST INORGAN CHEM, D-8520 ERLANGEN, FED REP GER
DILL, JD
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST INORGAN CHEM, D-8520 ERLANGEN, FED REP GER
SCHLEYER, PV
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST INORGAN CHEM, D-8520 ERLANGEN, FED REP GER
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST INORGAN CHEM, D-8520 ERLANGEN, FED REP GER
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(19)
: 6159
-
6173
[9]
MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .24. GEOMETRIES AND ENERGIES OF SMALL BORON-COMPOUNDS COMPARISONS WITH CARBOCATIONS
DILL, JD
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
DILL, JD
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
SCHLEYER, PV
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(12)
: 3402
-
3409
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
←
1
2
3
4
→